N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide

C19H14F3N3O2S — CID 18567903

IUPACN-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F3N3O2S/c20-19(21,22)14-8-4-5-9-15(14)24-16(26)10-13-11-28-18(23-13)25-17(27)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,24,26)(H,23,25,27)
InChIKeyFKNRFJAXTHQQKR-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.60
Rot. Bonds5

About N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 18567903) has the molecular formula C19H14F3N3O2S and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID18567903
Molecular FormulaC19H14F3N3O2S
Molecular Weight405.40 g/mol
Exact Mass405.08
IUPAC NameN-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F3N3O2S/c20-19(21,22)14-8-4-5-9-15(14)24-16(26)10-13-11-28-18(23-13)25-17(27)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,24,26)(H,23,25,27)
InChIKeyFKNRFJAXTHQQKR-UHFFFAOYSA-N
XLogP4.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 39192369
N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 30275534
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 55413439
4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 145489343
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
CID 46461718
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841885
N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55807846
3-[2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazol-4-yl]propanoic acid
CID 25122095
4-chloro-N-[4-[2-oxo-2-(2-phenylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41213333
benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 18282128

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide (CID 18567903) is N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide is O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is FKNRFJAXTHQQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2S/c20-19(21,22)14-8-4-5-9-15(14)24-16(26)10-13-11-28-18(23-13)25-17(27)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,24,26)(H,23,25,27).
What are the key properties of N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 405.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18567903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).